SCHEMBL29596405

SCHEMBL29596405

O=S(=O)(O)c1ccc(N=Nc2cc(F)c([O-])c(F)c2)cc1.[Na+]

nearest known ligand 0.56

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 2/20 0.39
PTGS2 known ✓ P35354 2/20 0.39
CA12 known ✓ O43570 2/20 0.39
CA2 known ✓ P00918 2/20 0.39
POLB P06746 1/20 0.56
CYP2D6 P10635 1/20 0.56
PHLPP2 Q6ZVD8 3/20 0.48
RPS6KA3 P51812 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SUMO2 P61956 1/20 0.41
SUMO1 P63165 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP2 Q9HC62 1/20 0.41
PLCG1 P19174 1/20 0.40
BRD4 O60885 1/20 0.39
ATIC P31939 1/20 0.39
CA9 Q16790 2/20 0.39
CA7 P43166 1/20 0.39
LMNA P02545 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4535887 0.86 POLB (0.59) POLBCYP2D6PHLPP2RPS6KA3MEN1
SCHEMBL4535890 0.86 POLB (0.59) POLBCYP2D6PHLPP2RPS6KA3MEN1
SCHEMBL4842357 0.80 POLB (0.56) POLBCYP2D6PHLPP2RPS6KA3KMT2A
SCHEMBL28560987 0.80 POLB (0.83) POLBCYP2D6PHLPP2RPS6KA3MEN1
SCHEMBL18624977 0.80 POLB (0.83) POLBCYP2D6PHLPP2RPS6KA3MEN1
SCHEMBL4842755 0.73 RPS6KA3 (0.55) POLBCYP2D6PHLPP2RPS6KA3MEN1
SCHEMBL9099069 0.73 RPS6KA3 (0.55) POLBCYP2D6PHLPP2RPS6KA3MEN1
SCHEMBL8843749 0.72 PHLPP2 (0.75) POLBCYP2D6PHLPP2RPS6KA3BRD4
SCHEMBL8843743 0.72 PHLPP2 (0.75) POLBCYP2D6PHLPP2RPS6KA3BRD4
SCHEMBL408153 0.72 POLB (1.00) POLBCYP2D6PHLPP2RPS6KA3MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4145164-B1 COUPLING DEVICE FOR NMR FLOW CELL FOR MAGNETIC FIELD INDEPENDENT ALIGNMENT AND NMR SPECTROMETER BRUKER SWITZERLAND AG (CH) 2023-11-15 EP claimed
CN-112634446-B Multi-engine three-dimensional scene data conversion method based on space-time consistency 北方信息控制研究院集团有限公司 2023-09-26 CN claimed
EP-4145164-A1 COUPLING DEVICE FOR NMR FLOW CELL FOR MAGNETIC FIELD INDEPENDENT ALIGNMENT AND NMR SPECTROMETER Bruker Switzerland AG (CH) 2023-03-08 EP claimed
CN-112098958-B Radar clutter prediction method based on digital map and meteorological hydrological information 中国电波传播研究所(中国电子科技集团公司第二十二研究所) 2022-04-26 CN claimed
EP-4713342-A2 SYSTEMS AND METHODS FOR REGULATING TARGET GENES Epicrispr Biotechnologies, Inc. (US) 2026-03-25 EP disclosed
EP-4703990-A1 METHOD OF MINING BEHAVIORAL PATTERNS FOR CONFORMANCE DIAGNOSTICS Celonis SE (DE) 2026-03-04 EP disclosed
EP-4601699-A1 LIPID NANOPARTICLE FORMULATIONS FOR MRNA DELIVERY TO LANGERHANS CELLS Cutanos GmbH (AT) 2025-08-20 EP disclosed
CN-119810668-A SAR image target detection method, device, equipment and medium based on cross-sensor 中国人民解放军国防科技大学 2025-04-11 CN disclosed
US-12173111-B2 Composition comprising polyesters for additive manufacturing EVONIK OPERATIONS GMBH (DE) 2024-12-24 US disclosed
CN-119107269-A Underwater image restoration method based on self-adaptive brightness improvement and local image scattering 安徽大学 2024-12-10 CN disclosed
WO-2024238661-A2 SYSTEMS AND METHODS FOR REGULATING TARGET GENES EPICRISPR BIOTECHNOLOGIES, INC. (US) 2024-11-21 WO disclosed
CN-114549901-B Multi-network combined auxiliary generation type knowledge distillation method 杭州电子科技大学 2024-05-14 CN disclosed
EP-4076959-B1 ADDITIVE MANUFACTURING PROCESS WITH A COMPOSITION COMPRISING POLYESTERS EVONIK OPERATIONS GMBH (DE) 2023-09-27 EP disclosed
CN-115943049-A Method of making an additive using a composition comprising a polyester 赢创运营有限公司 2023-04-07 CN disclosed
EP-4145164-A1 COUPLING DEVICE FOR NMR FLOW CELL FOR MAGNETIC FIELD INDEPENDENT ALIGNMENT AND NMR SPECTROMETER Bruker Switzerland AG (CH) 2023-03-08 EP disclosed
US-20220403093-A1 COMPOSITION COMPRISING POLYESTERS FOR ADDITIVE MANUFACTURING EVONIK OPERATIONS GMBH (DE) 2022-12-22 US disclosed
EP-4076959-A1 ADDITIVE MANUFACTURING PROCESS WITH A COMPOSITION COMPRISING POLYESTERS Evonik Operations GmbH (DE) 2022-10-26 EP disclosed
CN-114565081-A End-to-end no-data antagonism knowledge extraction method based on graph structure data 北京邮电大学 2022-05-31 CN disclosed
CN-114549901-A Multi-network joint auxiliary generation type knowledge distillation method 杭州电子科技大学 2022-05-27 CN disclosed
CN-112098958-B Radar clutter prediction method based on digital map and meteorological hydrological information 中国电波传播研究所(中国电子科技集团公司第二十二研究所) 2022-04-26 CN disclosed